7-bromo-2,4-dichloro-6-methylthieno[3,2-d]pyrimidine

C7H3BrCl2N2S — CID 118012108

IUPAC7-bromo-2,4-dichloro-6-methylthieno[3,2-d]pyrimidine
SMILESCc1sc2c(Cl)nc(Cl)nc2c1Br
InChIInChI=1S/C7H3BrCl2N2S/c1-2-3(8)4-5(13-2)6(9)12-7(10)11-4/h1H3
InChIKeyOYVZBRIHXCRDQL-UHFFFAOYSA-N
MW297.99 g/mol
LogP4.07
Rot. Bonds

About 7-bromo-2,4-dichloro-6-methylthieno[3,2-d]pyrimidine

7-bromo-2,4-dichloro-6-methylthieno[3,2-d]pyrimidine (PubChem CID 118012108) has the molecular formula C7H3BrCl2N2S and a molecular weight of 297.99 g/mol. Its IUPAC name is 7-bromo-2,4-dichloro-6-methylthieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name7-bromo-2,4-dichloro-6-methylthieno[3,2-d]pyrimidine
PubChem CID118012108
Molecular FormulaC7H3BrCl2N2S
Molecular Weight297.99 g/mol
Exact Mass295.86
IUPAC Name7-bromo-2,4-dichloro-6-methylthieno[3,2-d]pyrimidine
SMILESCc1sc2c(Cl)nc(Cl)nc2c1Br
InChIInChI=1S/C7H3BrCl2N2S/c1-2-3(8)4-5(13-2)6(9)12-7(10)11-4/h1H3
InChIKeyOYVZBRIHXCRDQL-UHFFFAOYSA-N
XLogP4.07
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.99
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-bromo-2,4-dichloro-6-methylthieno[3,2-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2,4-dichloro-6-methylthieno[3,2-d]pyrimidine?
The IUPAC name of 7-bromo-2,4-dichloro-6-methylthieno[3,2-d]pyrimidine (CID 118012108) is 7-bromo-2,4-dichloro-6-methylthieno[3,2-d]pyrimidine.
What is the SMILES notation for 7-bromo-2,4-dichloro-6-methylthieno[3,2-d]pyrimidine?
The canonical SMILES for 7-bromo-2,4-dichloro-6-methylthieno[3,2-d]pyrimidine is Cc1sc2c(Cl)nc(Cl)nc2c1Br.
What is the InChIKey of 7-bromo-2,4-dichloro-6-methylthieno[3,2-d]pyrimidine?
The InChIKey is OYVZBRIHXCRDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrCl2N2S/c1-2-3(8)4-5(13-2)6(9)12-7(10)11-4/h1H3.
What are the key properties of 7-bromo-2,4-dichloro-6-methylthieno[3,2-d]pyrimidine?
7-bromo-2,4-dichloro-6-methylthieno[3,2-d]pyrimidine has a molecular weight of 297.99 g/mol, XLogP of 4.07, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2,4-dichloro-6-methylthieno[3,2-d]pyrimidine is sourced from PubChem (CID 118012108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).